N,N-diethyl-2-[(8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine

Systemtic Name: N,N-diethyl-2-[(8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine Openeye Name: N,N-diethyl-2-[(8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine CAS Name: N,N-diethyl-2-[(8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]ethanamine IUPAC Name: N,N-diethyl-2-[(8-methyl-5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine Traditional Name: diethyl-[2-[(8-methyl-5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]ethyl]amine Formula: C24H29N5S MolecularWeight: 419.58556

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=C(C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)C)N=N1

Isomeric SMILES

CCN(CC)CCSC1=NC2=C(C3=C(N2CCC4=CC=CC=C4)C=CC(=C3)C)N=N1

InChI

InChI=1S/C24H29N5S/c1-4-28(5-2)15-16-30-24-25-23-22(26-27-24)20-17-18(3)11-12-21(20)29(23)14-13-19-9-7-6-8-10-19/h6-12,17H,4-5,13-16H2,1-3H3